Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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A | B | C |
---|---|---|
0.18457 | 0.04649 | 0.04112 |
Description | Value | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|
Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
rSS | 1.931 | 1 | 2 | JANAF | |||
rSCl | 2.057 | 1 | 3 | JANAF | |||
aSSCl | 108.2 | 1 | 2 | 4 | JANAF | ||
dClSSCl | 84.8 | 3 | 1 | 2 | 4 | JANAF |
Bond Type | Count |
---|---|
S-S | 1 |
S-Cl | 2 |
Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
S1 | 0.6120 | 0.7468 | 0.7434 |
S2 | -0.6120 | -0.7468 | 0.7434 |
Cl3 | 0.0000 | 2.0789 | -0.6996 |
Cl4 | 0.0000 | -2.0789 | -0.6996 |
S1 | S2 | Cl3 | Cl4 | |
---|---|---|---|---|
S1 | 1.9310 | 2.0570 | 3.2313 | |
S2 | 1.9310 | 3.2313 | 2.0570 | |
Cl3 | 2.0570 | 3.2313 | 4.1578 | |
Cl4 | 3.2313 | 2.0570 | 4.1578 |
squib | reference | DOI |
---|---|---|
1979Mar/Bro:399 | CJ Marsden, RD Brown, PD Godfrey "Microwave spectrum and Molecular Structure of Disulphur Dichloride, S2Cl2" J. Chem. Soc. Chem. Comm. 1979, 399 | 10.1039/c39790000399 |
JANAF | Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1. |
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